Glass transition of polymers in bulk, confined geometries, and near interfaces
When cooled or pressurized, polymer melts exhibit a tremendous reduction in molecular
mobility. If the process is performed at a constant rate, the structural relaxation time of the …
mobility. If the process is performed at a constant rate, the structural relaxation time of the …
The physics of jamming for granular materials: a review
RP Behringer, B Chakraborty - Reports on Progress in Physics, 2018 - iopscience.iop.org
Granular materials consist of macroscopic grains, interacting via contact forces, and
unaffected by thermal fluctuations. They are one of a class systems that undergo jamming, ie …
unaffected by thermal fluctuations. They are one of a class systems that undergo jamming, ie …
Edwards statistical mechanics for jammed granular matter
In 1989, Sir Sam Edwards made the visionary proposition to treat jammed granular materials
using a volume ensemble of equiprobable jammed states in analogy to thermal equilibrium …
using a volume ensemble of equiprobable jammed states in analogy to thermal equilibrium …
Temperature in and out of equilibrium: A review of concepts, tools and attempts
We review the general aspects of the concept of temperature in equilibrium and non-
equilibrium statistical mechanics. Although temperature is an old and well-established …
equilibrium statistical mechanics. Although temperature is an old and well-established …
Exploring energy landscapes
DJ Wales - Annual review of physical chemistry, 2018 - annualreviews.org
Recent advances in the potential energy landscapes approach are highlighted, including
both theoretical and computational contributions. Treating the high dimensionality of …
both theoretical and computational contributions. Treating the high dimensionality of …
Energy landscapes for machine learning
Machine learning techniques are being increasingly used as flexible non-linear fitting and
prediction tools in the physical sciences. Fitting functions that exhibit multiple solutions as …
prediction tools in the physical sciences. Fitting functions that exhibit multiple solutions as …
Basins with tentacles
Y Zhang, SH Strogatz - Physical Review Letters, 2021 - APS
To explore basin geometry in high-dimensional dynamical systems, we consider a ring of
identical Kuramoto oscillators. Many attractors coexist in this system; each is a twisted …
identical Kuramoto oscillators. Many attractors coexist in this system; each is a twisted …
100 Years of the Lennard-Jones Potential
P Schwerdtfeger, DJ Wales - Journal of Chemical Theory and …, 2024 - ACS Publications
It is now 100 years since Lennard-Jones published his first paper introducing the now
famous potential that bears his name. It is therefore timely to reflect on the many …
famous potential that bears his name. It is therefore timely to reflect on the many …
Numerical test of the Edwards conjecture shows that all packings are equally probable at jamming
In the late 1980s, Sam Edwards proposed a possible statistical-mechanical framework to
describe the properties of disordered granular materials. A key assumption underlying the …
describe the properties of disordered granular materials. A key assumption underlying the …
Predicting the phase diagram of titanium dioxide with random search and pattern recognition
Predicting phase stabilities of crystal polymorphs is central to computational materials
science and chemistry. Such predictions are challenging because they first require …
science and chemistry. Such predictions are challenging because they first require …